SCHEMBL16014717

SCHEMBL16014717

Nc1ncnn1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
P2RX7 Q99572 1/20 0.50
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.49
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP19A1 P11511 2/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ADORA2A P29274 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL28041024 0.86 HPGD (0.47) SMN1; SMN2NPC1RAB9AP2RX7TSHR
SCHEMBL25415200 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AP2RX7TSHR
SCHEMBL31272561 0.78 POLB (0.42) SMN1; SMN2NPC1RAB9AP2RX7ALDH1A1
SCHEMBL11291541 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AP2RX7TSHR
SCHEMBL16014774 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AP2RX7TSHR
SCHEMBL10771614 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AP2RX7TSHR
SCHEMBL12597163 0.77 NPC1 (0.56) SMN1; SMN2NPC1RAB9AP2RX7TSHR
Hydrochloric Acid SCHEMBL25212839 0.77 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AP2RX7TSHR
SCHEMBL2563333 0.75 TAAR1 (0.43) SMN1; SMN2NPC1RAB9AP2RX7ALDH1A1
SCHEMBL11294209 0.74 NPC1 (0.53) SMN1; SMN2NPC1RAB9AP2RX7TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964626-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
WO-2014135472-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160002180-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SMN1; SMN2 2902/4885NPC1 51/4885RAB9A 1080/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.